SCHEMBL822847

SCHEMBL822847

Cc1ccc(C(=O)c2ccc(Oc3cccc4c(Oc5ccc(C(=O)c6ccc(C)cc6)cc5)cccc34)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.53
ALDH1A1 P00352 3/20 0.53
ESR1 P03372 2/20 0.51
ESR2 Q92731 2/20 0.51
MMP13 P45452 3/20 0.47
SRD5A2 P31213 2/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
SIRT3 Q9NTG7 1/20 0.46
HTT P42858 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPK14 Q16539 1/20 0.44
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
ELANE P08246 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9914251 0.94 FGFR2 (0.47) LMNAALDH1A1ESR1ESR2MMP13
SCHEMBL822937 0.93 ALDH1A1 (0.53) LMNAALDH1A1ESR1ESR2MMP13
SCHEMBL2628148 0.93 HPGD (0.51) LMNAALDH1A1ESR1ESR2SIRT2
SCHEMBL13670303 0.90 HTT (0.54) LMNAALDH1A1ESR1ESR2MMP13
SCHEMBL13670319 0.90 ESR1 (0.50) LMNAALDH1A1ESR1ESR2MMP13
SCHEMBL13665732 0.88 SRD5A2 (0.55) LMNAALDH1A1ESR1ESR2MMP13
SCHEMBL9914255 0.88 MAPT (0.52) LMNAALDH1A1SRD5A2HTTKMT2A
SCHEMBL12769555 0.88 ALDH1A1 (0.47) LMNAALDH1A1ESR1ESR2MMP13
SCHEMBL27497005 0.85 PARP10 (0.49) LMNAALDH1A1SRD5A2HTTKMT2A
SCHEMBL8766780 0.84 HTT (0.51) LMNAALDH1A1ESR1ESR2MMP13

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293905-B2 Bipyridine compound, transition metal complex, and method for production of conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-23 US disclosed
US-8236920-B2 Polyarylene and process for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-07 US disclosed
US-20120164558-A1 BIPHENYLTETRASULFONIC ACID COMPOUND, METHOD FOR PRODUCING SAME, POLYMER AND POLYMER ELECTROLYTE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-06-28 US disclosed
US-8163406-B2 Membrane-electrode assembly for solid polymer electrolyte fuel cell HONDA MOTOR CO., LTD. (JP) 2012-04-24 US disclosed
US-8088883-B2 Transition metal complex and process for producing conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-20110275780-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMCIAL COMPANY LIMITED 2011-11-10 US disclosed
US-20110275859-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED 2011-11-10 US disclosed
US-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED 2011-02-24 US disclosed
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED 2010-11-18 US disclosed
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-22 US disclosed
US-20100159351-A1 MEMBRANE-ELECTRODE ASSEMBLY, AND MEMBRANE-ELECTRODE-(GAS DIFFUSION LAYER) ASSEMBLY AND SOLID POLYMER FUEL CELL EACH COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY LIMITED 2010-06-24 US disclosed
US-20090326188-A1 Method for producing polyarylene SUMITOMO CHEMICAL COMPANY, LIMITED 2009-12-31 US disclosed
US-20090269645-A1 POLYMER, POLYMER ELECTROLYTE AND FUEL CELL USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-10-29 US disclosed
US-20090253015-A1 POLYARYLENE BLOCK COPOLYMER AND USE THEREOF SUMITOMO CHEMICAL COMPANY ,LIMITED (JP) 2009-10-08 US disclosed
US-20090202888-A1 Polymer electrolyte emulsion and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED 2009-08-13 US disclosed
US-20090036632-A1 Polyarylene and Process for Producing the Same SUMITOMO CHEMICAL COMPANY, LIMITED 2009-02-05 US disclosed
US-20080287646-A1 Polyarylene and Method for Producing the Same SUMITOMO CHEMICAL COMPANY, LIMITED 2008-11-20 US disclosed
US-20080160381-A1 MEMBRANE-ELECTRODE ASSEMBLY FOR SOLID POLYMER ELECTROLYTE FUEL CELL HONDA MOTOR CO., LTD. (JP) 2008-07-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110275859-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND C9, H1-10, CYP1A1 LMNA 1269/4885ALDH1A1 46/4885ESR1 653/4885
US-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP1M1 LMNA 2664/4885ALDH1A1 974/4885ESR1 871/4885
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP2M1 LMNA 3345/4885ALDH1A1 1092/4885ESR1 997/4885
US-20120164558-A1 BIPHENYLTETRASULFONIC ACID COMPOUND, METHOD FOR PRODUCING SAME, POLYMER AND POLYMER ELECTROLYTE ARSA, PDXK, AIPL1 LMNA 3614/4885ALDH1A1 755/4885ESR1 1180/4885
US-20090036632-A1 Polyarylene and Process for Producing the Same CYP1A1, CYP1B1, C1R LMNA 2226/4885ALDH1A1 1881/4885ESR1 1824/4885
US-20080287646-A1 Polyarylene and Method for Producing the Same CYP1A1, C1R, CBR1 LMNA 2889/4885ALDH1A1 602/4885ESR1 1237/4885
US-20100292481-A1 METHOD FOR PRODUCING CONJUGATED AROMATIC COMPOUND TYR, PAH, AHR LMNA 2021/4885ALDH1A1 816/4885ESR1 1649/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.